Information card for entry 7123718

Structure parameters

• Formula: C16 H20 B10 O2
• Calculated formula: C16 H20 B10 O2
• Title of publication: Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.
• Authors of publication: Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.9997 ± 0.0002 Å
• b: 25.3248 ± 0.0007 Å
• c: 10.7346 ± 0.0003 Å
• α: 90°
• β: 94.777 ± 0.003°
• γ: 90°
• Cell volume: 1896.27 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No